* LIGAND DATABASE FILE (OPLS2005)
*
001      88    88    161    243     474
    1     0 S   NP   _N1_     1    28.68021    94.61910   -19.62314
    2     1 S   H    _HN1     2     1.02820    29.95670   143.77610
    3     1 S   H    _H1_     3     1.02767    83.68476   -71.65056
    4     1 S   H    _H2_     4     1.02987    99.39992    35.93611
    5     1 S   CT   _CA1     5     1.50161   138.40888   171.59760
    6     5 S   HC   _HA1     6     1.09591   105.19109    44.55225
    7     5 S   CO3  _C1_     7     1.53776   112.48120   -75.28320
    8     7 S   O2Z  _O11     8     1.26314   115.03373   -41.08982
    9     7 S   O2Z  _O12     9     1.26269   114.90508   137.97995
   10     5 S   CT   _CB1    10     1.53084   107.29288   162.12749
   11    10 S   HC   HB11    11     1.09807   108.98204   -53.80223
   12    10 S   HC   HB12    12     1.09806   110.41671    62.48518
   13    10 S   CT   _CG1    13     1.52979   112.89350  -175.26236
   14    13 S   HC   HG11    14     1.09605   110.03251   -65.60504
   15    13 S   HC   HG12    15     1.09631   110.28451    53.48260
   16    13 S   C    _CD1    16     1.51843   112.29916   173.36771
   17    16 S   O    _OE1    17     1.22728   123.13503   -17.81334
   18    16 S   N    _N2_    18     1.38553   111.73638   163.63104
   19    18 S   H    _HN2    19     1.01583   118.96852    -0.05234
   20    18 S   CT1  _CA2    20     1.46230   123.58651  -179.04121
   21    20 S   HC   _HA2    21     1.09730   109.40169   -17.42064
   22    20 S   C    _C2_    22     1.53400   107.67124  -133.03522
   23    22 S   O    _O2_    23     1.22975   122.52094  -142.51896
   24    20 S   CT   _CB2    32     1.53388   111.42146   105.01226
   25    24 S   HC   HB21    33     1.09401   109.61026    54.43391
   26    24 S   HC   HB22    34     1.09484   110.42326   172.42138
   27    22 S   N    _N3_    24     1.38585   113.15341    44.57323
   28    27 S   H    _HN3    25     1.01533   118.90158    -0.44675
   29    24 S   S    _SG2    35     1.82955   111.75563   -69.20843
   30    27 S   CT   _CA3    26     1.45432   123.32907   175.10543
   31    30 S   HC   HA31    27     1.09532   109.09912    26.94828
   32    30 S   HC   HA32    28     1.09491   107.15418   143.94625
   33    29 S   CT   _C12    36     1.86542   101.53349   135.14108
   34    30 S   CO3  _C3_    29     1.52941   113.22896   -96.41711
   35    34 S   O2Z  _O31    30     1.26395   115.46703   -42.75957
   36    34 S   O2Z  _O32    31     1.26365   114.93919   138.19260
   37    33 S   CM   _C16    37     1.52883   106.75886  -176.84955
   38    33 S   CM   _C11    65     1.51514   108.27929    60.18623
   39    38 S   HC   _H16    66     1.09006   115.52397    58.62911
   40    37 S   CMA  _C15    38     1.35293   112.43181    96.76694
   41    40 S   OM   _O35    39     1.25734   135.48151  -178.28103
   42    37 S   CT   _C17    46     1.50978   122.92267   -79.88197
   43    42 S   HC   _H21    47     1.09365   109.19806    35.81051
   44    42 S   HC   _H22    48     1.09755   109.58019   150.78196
   45    38 S   CM   _C10    67     1.34377   127.38649  -120.13951
   46    45 S   HC   _H15    68     1.08574   120.44842    -0.12195
   47    40 S   CT   _C14    40     1.50984   109.97309     0.86411
   48    47 S   HC   _H19    41     1.09687   113.69015   136.37176
   49    47 S   HC   _H20    42     1.09676   110.91600  -100.89442
   50    42 S   CM   _C18    49     1.50423   112.44681   -89.79168
   51    50 S   HC   _H23    50     1.08968   115.50430   -44.95198
   52    45 S   CT   _C9_    69     1.50273   123.67215   179.93147
   53    52 S   HC   _H3_    70     1.09381   111.68720     1.15012
   54    33 S   CT   _C13    43     1.54418   110.91723   -68.96237
   55    54 S   HC   _H17    44     1.09890   110.93346   160.60985
   56    54 S   HC   _H18    45     1.09423   114.69604    39.96017
   57    50 S   CM   _C19    51     1.34262   127.65444   136.89149
   58    57 S   HC   _H24    52     1.08902   117.01134   178.92225
   59    52 S   CT   _C8_    71     1.53356   113.06658  -123.01390
   60    59 S   HC   _H13    72     1.09835   108.61981  -174.48687
   61    59 S   HC   _H14    73     1.09866   109.34108   -60.60392
   62    52 S   OH   _O36    87     1.42944   107.94116   118.20529
   63    62 S   HO   _H31    88     0.97303   107.22553   -58.96954
   64    57 S   CT   _C20    53     1.50222   127.67066     0.82851
   65    64 S   HC   _H25    54     1.09276   111.67529     2.68402
   66    64 S   HC   _H26    55     1.09702   108.05016   119.13570
   67    59 S   CT   _C7_    74     1.53192   115.72492    62.47049
   68    67 S   HC   _H11    75     1.09730   107.90035  -179.02261
   69    67 S   HC   _H12    76     1.09551   110.06897   -63.44324
   70    64 S   CT   _C21    56     1.53154   111.16270  -120.99959
   71    70 S   HC   _H27    57     1.09482   110.10959    55.64241
   72    70 S   HC   _H28    58     1.09764   109.14174   -60.94406
   73    67 S   CT   _C6_    77     1.52999   113.39473    60.01858
   74    73 S   HC   _H9_    78     1.09520   109.93756   -65.62250
   75    73 S   HC   _H10    79     1.09664   109.64437    52.09960
   76    70 S   CT   _C22    59     1.52599   112.41689   178.64549
   77    76 S   HC   _H29    60     1.09749   108.32446   168.77630
   78    76 S   HC   _H30    61     1.09701   109.56514    52.57092
   79    73 S   CT   _C5_    80     1.52894   111.32922   173.41757
   80    79 S   HC   _H7_    81     1.09618   109.85316   -59.29655
   81    79 S   HC   _H8_    82     1.09542   109.92688    58.45792
   82    76 S   CO3  _C23    62     1.53268   116.65757   -71.54952
   83    82 S   O2Z  _O34    63     1.26117   116.51095   -15.18032
   84    82 S   O2Z  _O33    64     1.26486   114.14432   165.39591
   85    79 S   CT   _C4_    83     1.52027   111.54699   179.58363
   86    85 S   HC   _H4_    84     1.09431   111.00529   -61.11465
   87    85 S   HC   _H5_    85     1.09463   111.04173    59.46338
   88    85 S   HC   _H6_    86     1.09448   110.24093   179.24359
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  11   5   4   3
  18   2   1   1  17  13   4  11   5   9   4   3  10   4   5   4
   3   7   3  10   6   2   1   1   8   4  11   6   5   2   1   9
   5   4   9   5   4   8   5   4   9   5   4   5   4   3   6   5
   4   2   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    54    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    47    54    55    56    42    38    39    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    47    48    49    54    55    56    42    43    44    50    38    39    45    46    52  
   35    36  
   36  
    0  
   40    41    47    48    49    54    55    56    42    43    44    50    51    57    38    39    45  
   39    45    46    52    53    59    62    40    42    47    54    55    56  
   45    46    52    54  
   41    47    48    49    54    55    56    42    43    44    50  
   47    48    49    54    42  
   43    44    50    51    57    58    64    47    54  
   44    50    51    57  
   50    51    57  
   46    52    53    59    60    61    67    62    63    54  
   52    53    59    62  
   48    49    54    55    56  
   49    54    55    56  
   54    55    56  
   51    57    58    64    65    66    70  
   57    58    64  
   53    59    60    61    67    68    69    73    62    63  
   59    60    61    67    62    63  
   55    56  
   56  
    0  
   58    64    65    66    70    71    72    76  
   64    65    66    70  
   60    61    67    68    69    73    74    75    79    62    63  
   61    67    68    69    73    62  
   67    68    69    73    62  
   63    67  
    0  
   65    66    70    71    72    76    77    78    82  
   66    70    71    72    76  
   70    71    72    76  
   68    69    73    74    75    79    80    81    85  
   69    73    74    75    79  
   73    74    75    79  
   71    72    76    77    78    82    83    84  
   72    76    77    78    82  
   76    77    78    82  
   74    75    79    80    81    85    86    87    88  
   75    79    80    81    85  
   79    80    81    85  
   77    78    82    83    84  
   78    82    83    84  
   82    83    84  
   80    81    85    86    87    88  
   81    85    86    87    88  
   85    86    87    88  
   83    84  
   84  
    0  
   86    87    88  
   87    88  
   88  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    54   268.000  1.529
   33    38   317.000  1.510
   37    40   465.000  1.376
   37    42   317.000  1.510
   40    41   745.000  1.250
   40    47   270.000  1.512
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    50   317.000  1.510
   50    51   340.000  1.080
   50    57   549.000  1.340
   57    58   340.000  1.080
   57    64   317.000  1.510
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    82   317.000  1.522
   82    83   656.000  1.250
   82    84   656.000  1.250
   38    39   340.000  1.080
   38    45   549.000  1.340
   45    46   340.000  1.080
   45    52   317.000  1.510
   52    53   340.000  1.090
   52    59   268.000  1.529
   52    62   320.000  1.410
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    85   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   62    63   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    54    75.00000  111.63000
   29    33    38    75.00000  112.20000
   33    37    40    70.00000  124.00000
   33    37    42    65.00000  117.92700
   33    54    47    58.35000  112.70000
   33    54    55    37.50000  110.70000
   33    54    56    37.50000  110.70000
   33    38    39    35.00000  117.00000
   33    38    45    70.00000  124.00000
   37    40    41    65.00000  137.10300
   37    40    47    65.00000  122.18000
   37    42    43    35.00000  109.50000
   37    42    44    35.00000  109.50000
   37    42    50    70.00000  110.12100
   40    47    48    45.00000  110.52000
   40    47    49    45.00000  110.52000
   40    47    54    70.00000  112.02700
   47    40    41    85.00000  112.85300
   47    54    55    37.50000  110.70000
   47    54    56    37.50000  110.70000
   49    47    48    33.00000  107.80000
   54    33    37    70.00000  112.02700
   54    47    48    37.50000  110.70000
   54    47    49    37.50000  110.70000
   56    54    55    33.00000  107.80000
   42    37    40    70.00000  124.00000
   42    50    51    35.00000  117.00000
   42    50    57    70.00000  124.00000
   44    42    43    33.00000  107.80000
   50    42    43    35.00000  109.50000
   50    42    44    35.00000  109.50000
   50    57    58    35.00000  120.00000
   50    57    64    70.00000  124.00000
   57    50    51    35.00000  120.00000
   57    64    65    35.00000  109.50000
   57    64    66    35.00000  109.50000
   57    64    70    70.00000  112.02700
   64    57    58    35.00000  117.00000
   64    70    71    37.50000  110.70000
   64    70    72    37.50000  110.70000
   64    70    76    58.35000  112.70000
   66    64    65    33.00000  107.80000
   70    64    65    37.50000  110.70000
   70    64    66    37.50000  110.70000
   70    76    77    37.50000  110.70000
   70    76    78    37.50000  110.70000
   70    76    82    70.00000  109.69300
   72    70    71    33.00000  107.80000
   76    70    71    37.50000  110.70000
   76    70    72    37.50000  110.70000
   76    82    83    70.00000  117.00000
   76    82    84    70.00000  117.00000
   78    76    77    33.00000  107.80000
   82    76    77    35.00000  109.50000
   82    76    78    35.00000  109.50000
   84    82    83    80.00000  126.00000
   38    33    37    70.00000  110.12100
   38    33    54    70.00000  112.02700
   38    45    46    35.00000  120.00000
   38    45    52    70.00000  124.00000
   45    38    39    35.00000  120.00000
   45    52    53    35.00000  109.50000
   45    52    59    70.00000  112.02700
   45    52    62    90.00000  110.39200
   52    45    46    35.00000  117.00000
   52    59    60    37.50000  110.70000
   52    59    61    37.50000  110.70000
   52    59    67    58.35000  112.70000
   52    62    63    55.00000  108.50000
   59    52    53    37.50000  110.70000
   59    67    68    37.50000  110.70000
   59    67    69    37.50000  110.70000
   59    67    73    58.35000  112.70000
   61    59    60    33.00000  107.80000
   67    59    60    37.50000  110.70000
   67    59    61    37.50000  110.70000
   67    73    74    37.50000  110.70000
   67    73    75    37.50000  110.70000
   67    73    79    58.35000  112.70000
   69    67    68    33.00000  107.80000
   73    67    68    37.50000  110.70000
   73    67    69    37.50000  110.70000
   73    79    80    37.50000  110.70000
   73    79    81    37.50000  110.70000
   73    79    85    58.35000  112.70000
   75    73    74    33.00000  107.80000
   79    73    74    37.50000  110.70000
   79    73    75    37.50000  110.70000
   79    85    86    37.50000  110.70000
   79    85    87    37.50000  110.70000
   79    85    88    37.50000  110.70000
   81    79    80    33.00000  107.80000
   85    79    80    37.50000  110.70000
   85    79    81    37.50000  110.70000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   62    52    53    35.00000  109.50000
   62    52    59    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   0.21350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    37    42   0.30250  1.0 1.0
   29    33    37    42  -0.14950 -1.0 2.0
   29    33    37    42   0.36900  1.0 3.0
   29    33    54    47   0.44750  1.0 1.0
   29    33    54    47  -0.17800 -1.0 2.0
   29    33    54    47   0.20200  1.0 3.0
   29    33    54    55   0.15000  1.0 3.0
   29    33    54    56   0.15000  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    45   0.42700  1.0 1.0
   29    33    38    45  -0.70350 -1.0 2.0
   29    33    38    45  -0.43150  1.0 3.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37   -40    47   7.00000 -1.0 2.0
   33    37    42    43   0.34800  1.0 3.0
   33    37    42    44   0.34800  1.0 3.0
   33    37    42    50   0.09700  1.0 1.0
   33    37    42    50   0.15600 -1.0 2.0
   33    37    42    50  -0.50800  1.0 3.0
   33    38    45    46   7.00000 -1.0 2.0
   33    38    45    52   7.00000 -1.0 2.0
   37    33   -54    47   0.34400  1.0 1.0
   37    33   -54    47   0.09450 -1.0 2.0
   37    33   -54    47   0.11100  1.0 3.0
   37    33    54    55   0.15000  1.0 3.0
   37    33    54    56   0.15000  1.0 3.0
   37    33    38    39   0.00000  1.0 1.0
   37    33    38    45  -0.28300  1.0 1.0
   37    33    38    45   0.26700 -1.0 2.0
   37    33    38    45  -0.63300  1.0 3.0
   37    40    47    48   0.00000  1.0 1.0
   37    40    47    49   0.00000  1.0 1.0
   37    40   -47    54   0.09850  1.0 1.0
   37    40   -47    54   0.15250 -1.0 2.0
   37    40   -47    54  -0.50650  1.0 3.0
   37    42    50    51   0.00000  1.0 1.0
   37    42    50    57  -0.28300  1.0 1.0
   37    42    50    57   0.26700 -1.0 2.0
   37    42    50    57  -0.63300  1.0 3.0
   40    37    42    43   0.00000  1.0 1.0
   40    37    42    44   0.00000  1.0 1.0
   40    37    42    50  -0.28300  1.0 1.0
   40    37    42    50   0.26700 -1.0 2.0
   40    37    42    50  -0.63300  1.0 3.0
   40    47   -54    33   0.34400  1.0 1.0
   40    47   -54    33   0.09450 -1.0 2.0
   40    47   -54    33   0.11100  1.0 3.0
   40    47    54    55   0.15000  1.0 3.0
   40    47    54    56   0.15000  1.0 3.0
   41    40    47    48   0.00000  1.0 1.0
   41    40    47    49   0.00000  1.0 1.0
   41    40    47    54   0.09700  1.0 1.0
   41    40    47    54   0.15600 -1.0 2.0
   41    40    47    54  -0.50800  1.0 3.0
   48    47    54    33   0.15000  1.0 3.0
   48    47    54    55   0.15000  1.0 3.0
   48    47    54    56   0.15000  1.0 3.0
   49    47    54    33   0.15000  1.0 3.0
   49    47    54    55   0.15000  1.0 3.0
   49    47    54    56   0.15000  1.0 3.0
   54    33   -37    40   0.09850  1.0 1.0
   54    33   -37    40   0.15250 -1.0 2.0
   54    33   -37    40  -0.50650  1.0 3.0
   54    33    37    42   0.46850  1.0 1.0
   54    33    37    42   0.08550 -1.0 2.0
   54    33    37    42   0.09800  1.0 3.0
   54    33    38    39   0.00000  1.0 1.0
   54    33    38    45   0.09850  1.0 1.0
   54    33    38    45   0.15250 -1.0 2.0
   54    33    38    45  -0.50650  1.0 3.0
   42    37    40    41   7.00000 -1.0 2.0
   42    37    40    47   7.00000 -1.0 2.0
   42    50    57    58   7.00000 -1.0 2.0
   42    50    57    64   7.00000 -1.0 2.0
   43    42    50    51   0.33100  1.0 3.0
   43    42    50    57   0.00000  1.0 1.0
   44    42    50    51   0.33100  1.0 3.0
   44    42    50    57   0.00000  1.0 1.0
   50    57    64    65   0.00000  1.0 1.0
   50    57    64    66   0.00000  1.0 1.0
   50    57    64    70   0.09850  1.0 1.0
   50    57    64    70   0.15250 -1.0 2.0
   50    57    64    70  -0.50650  1.0 3.0
   51    50    57    58   7.00000 -1.0 2.0
   51    50    57    64   7.00000 -1.0 2.0
   57    64    70    71   0.15000  1.0 3.0
   57    64    70    72   0.15000  1.0 3.0
   57    64    70    76   0.34400  1.0 1.0
   57    64    70    76   0.09450 -1.0 2.0
   57    64    70    76   0.11100  1.0 3.0
   58    57    64    65   0.33100  1.0 3.0
   58    57    64    66   0.33100  1.0 3.0
   58    57    64    70   0.00000  1.0 1.0
   64    70    76    77   0.15000  1.0 3.0
   64    70    76    78   0.15000  1.0 3.0
   64    70    76    82  -1.63150  1.0 1.0
   64    70    76    82  -0.43550 -1.0 2.0
   64    70    76    82   0.24500  1.0 3.0
   65    64    70    71   0.15000  1.0 3.0
   65    64    70    72   0.15000  1.0 3.0
   65    64    70    76   0.15000  1.0 3.0
   66    64    70    71   0.15000  1.0 3.0
   66    64    70    72   0.15000  1.0 3.0
   66    64    70    76   0.15000  1.0 3.0
   70    76    82    83   0.41150 -1.0 2.0
   70    76    82    84   0.41150 -1.0 2.0
   71    70    76    77   0.15000  1.0 3.0
   71    70    76    78   0.15000  1.0 3.0
   71    70    76    82  -0.11250  1.0 3.0
   72    70    76    77   0.15000  1.0 3.0
   72    70    76    78   0.15000  1.0 3.0
   72    70    76    82  -0.11250  1.0 3.0
   77    76    82    83   0.00000  1.0 1.0
   77    76    82    84   0.00000  1.0 1.0
   78    76    82    83   0.00000  1.0 1.0
   78    76    82    84   0.00000  1.0 1.0
   38    33    37    40  -0.28300  1.0 1.0
   38    33    37    40   0.26700 -1.0 2.0
   38    33    37    40  -0.63300  1.0 3.0
   38    33    37    42   0.09700  1.0 1.0
   38    33    37    42   0.15600 -1.0 2.0
   38    33    37    42  -0.50800  1.0 3.0
   38    33    54    47   0.34400  1.0 1.0
   38    33    54    47   0.09450 -1.0 2.0
   38    33    54    47   0.11100  1.0 3.0
   38    33    54    55   0.15000  1.0 3.0
   38    33    54    56   0.15000  1.0 3.0
   38    45    52    53   0.00000  1.0 1.0
   38    45    52    59   0.09850  1.0 1.0
   38    45    52    59   0.15250 -1.0 2.0
   38    45    52    59  -0.50650  1.0 3.0
   38    45    52    62   0.67800  1.0 1.0
   38    45    52    62   0.47050 -1.0 2.0
   38    45    52    62  -0.62500  1.0 3.0
   39    38    45    46   7.00000 -1.0 2.0
   39    38    45    52   7.00000 -1.0 2.0
   45    52    59    60   0.15000  1.0 3.0
   45    52    59    61   0.15000  1.0 3.0
   45    52    59    67   0.34400  1.0 1.0
   45    52    59    67   0.09450 -1.0 2.0
   45    52    59    67   0.11100  1.0 3.0
   45    52    62    63  -0.07800  1.0 1.0
   45    52    62    63  -0.21500 -1.0 2.0
   45    52    62    63  -0.03150  1.0 3.0
   46    45    52    53   0.33100  1.0 3.0
   46    45    52    59   0.00000  1.0 1.0
   46    45    52    62   0.00000  1.0 1.0
   52    59    67    68   0.15000  1.0 3.0
   52    59    67    69   0.15000  1.0 3.0
   52    59    67    73   0.56750  1.0 1.0
   52    59    67    73  -0.07550 -1.0 2.0
   52    59    67    73   0.20000  1.0 3.0
   53    52    59    60   0.15000  1.0 3.0
   53    52    59    61   0.15000  1.0 3.0
   53    52    59    67   0.15000  1.0 3.0
   53    52    62    63   0.19450  1.0 3.0
   59    52    62    63  -0.11600  1.0 1.0
   59    52    62    63  -0.09450 -1.0 2.0
   59    52    62    63   0.21250  1.0 3.0
   59    67    73    74   0.15000  1.0 3.0
   59    67    73    75   0.15000  1.0 3.0
   59    67    73    79   0.56750  1.0 1.0
   59    67    73    79  -0.07550 -1.0 2.0
   59    67    73    79   0.20000  1.0 3.0
   60    59    67    68   0.15000  1.0 3.0
   60    59    67    69   0.15000  1.0 3.0
   60    59    67    73   0.15000  1.0 3.0
   61    59    67    68   0.15000  1.0 3.0
   61    59    67    69   0.15000  1.0 3.0
   61    59    67    73   0.15000  1.0 3.0
   67    73    79    80   0.15000  1.0 3.0
   67    73    79    81   0.15000  1.0 3.0
   67    73    79    85   0.56750  1.0 1.0
   67    73    79    85  -0.07550 -1.0 2.0
   67    73    79    85   0.20000  1.0 3.0
   68    67    73    74   0.15000  1.0 3.0
   68    67    73    75   0.15000  1.0 3.0
   68    67    73    79   0.15000  1.0 3.0
   69    67    73    74   0.15000  1.0 3.0
   69    67    73    75   0.15000  1.0 3.0
   69    67    73    79   0.15000  1.0 3.0
   73    79    85    86   0.15000  1.0 3.0
   73    79    85    87   0.15000  1.0 3.0
   73    79    85    88   0.15000  1.0 3.0
   74    73    79    80   0.15000  1.0 3.0
   74    73    79    81   0.15000  1.0 3.0
   74    73    79    85   0.15000  1.0 3.0
   75    73    79    80   0.15000  1.0 3.0
   75    73    79    81   0.15000  1.0 3.0
   75    73    79    85   0.15000  1.0 3.0
   80    79    85    86   0.15000  1.0 3.0
   80    79    85    87   0.15000  1.0 3.0
   80    79    85    88   0.15000  1.0 3.0
   81    79    85    86   0.15000  1.0 3.0
   81    79    85    87   0.15000  1.0 3.0
   81    79    85    88   0.15000  1.0 3.0
   62    52    59    60   0.23400  1.0 3.0
   62    52    59    61   0.23400  1.0 3.0
   62    52    59    67   0.86500  1.0 1.0
   62    52    59    67  -0.17500 -1.0 2.0
   62    52    59    67   0.20800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    42    37    40   1.10000 -1.0 2.0
   47    41    40    37   1.10000 -1.0 2.0
   42    51    50    57  15.00000 -1.0 2.0
   64    58    57    50  15.00000 -1.0 2.0
   83    76    82    84  10.50000 -1.0 2.0
   33    39    38    45  15.00000 -1.0 2.0
   52    46    45    38  15.00000 -1.0 2.0
END
